0 mol 28 unq 0 iso 0 dist 8.24316 4.3475 7.7871 9.77719 11.0435 9.2146 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.49678 11.6027 8.10222 12.4893 5.75684 7.70645 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.1747 11.8271 6.89855 14.53 5.74753 8.78414 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.68303 3.97203 5.26566 10.1526 9.4465 8.71074 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.08674 6.27527 5.91098 14.8387 13.363 9.57759 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.33694 6.27527 4.86523 14.8387 7.37421 9.57759 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.60438 4.3421 8.63446 7.15918 6.55381 7.62463 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 5.22576 10.358 8.91998 9.27894 5.09341 7.71625 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 8.65409 15.2668 8.91998 13.7163 5.09341 7.71625 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 7.88346 6.03327 5.33772 10.8829 7.11802 6.60366 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 6.73513 12.1876 8.83628 6.3407 6.31671 7.68686 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 7.7874 14.6013 9.53899 17.5596 10.0389 7.66702 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 9.02319 8.71755 6.06793 12.5102 6.97024 7.99036 numMergedOcc 0
13 mol 254 unq 0 iso 0 dist 8.22257 15.6949 9.84028 16.0288 8.2786 5.6417 numMergedOcc 0
14 mol 254 unq 1 iso 0 dist 8.22257 15.6949 9.84028 13.2089 5.20737 7.42831 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 5.16772 4.38276 6.90472 8.52702 4.35925 9.73217 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 5.16772 4.38276 6.90472 9.85302 13.8859 7.49606 numMergedOcc 0
17 mol 260 unq 2 iso 0 dist 5.16772 4.38276 6.90472 11.1504 13.5662 8.06377 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.51286 4.58167 6.48382 6.61768 7.90149 8.20376 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.92271 9.69757 4.1545 8.20902 6.65084 5.13533 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 8.62666 7.55695 4.1545 9.55813 6.65084 5.13533 numMergedOcc 0
